3-(4-chlorobutylsulfonylamino)-N-methylpropanamide

C8H17ClN2O3S — CID 116816081

IUPAC3-(4-chlorobutylsulfonylamino)-N-methylpropanamide
SMILESCNC(=O)CCNS(=O)(=O)CCCCCl
InChIInChI=1S/C8H17ClN2O3S/c1-10-8(12)4-6-11-15(13,14)7-3-2-5-9/h11H,2-7H2,1H3,(H,10,12)
InChIKeyFIFLBYRKQHTHOI-UHFFFAOYSA-N
MW256.75 g/mol
LogP0.06
Rot. Bonds8

About 3-(4-chlorobutylsulfonylamino)-N-methylpropanamide

3-(4-chlorobutylsulfonylamino)-N-methylpropanamide (PubChem CID 116816081) has the molecular formula C8H17ClN2O3S and a molecular weight of 256.75 g/mol. Its IUPAC name is 3-(4-chlorobutylsulfonylamino)-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-chlorobutylsulfonylamino)-N-methylpropanamide
PubChem CID116816081
Molecular FormulaC8H17ClN2O3S
Molecular Weight256.75 g/mol
Exact Mass256.06
IUPAC Name3-(4-chlorobutylsulfonylamino)-N-methylpropanamide
SMILESCNC(=O)CCNS(=O)(=O)CCCCCl
InChIInChI=1S/C8H17ClN2O3S/c1-10-8(12)4-6-11-15(13,14)7-3-2-5-9/h11H,2-7H2,1H3,(H,10,12)
InChIKeyFIFLBYRKQHTHOI-UHFFFAOYSA-N
XLogP0.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-(4-chlorobutylsulfonylamino)-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-chloroethylsulfonylamino)-N-methylpropanamide
CID 107651828
6-chloro-N-pentylhexane-1-sulfonamide
CID 57134163
2-(2-chloroethylsulfonylamino)-N-methylacetamide
CID 107650514
4-chloro-N-[3-(methylamino)-3-oxopropyl]butanamide
CID 63308286
4-chloro-N-(2-methylsulfinylethyl)butane-1-sulfonamide
CID 116816542
3-(chloromethylsulfonyl)-N-methylpropanamide
CID 131227677
4-chloro-N-(3-methylsulfinylpropyl)butane-1-sulfonamide
CID 116816553
4-chloro-N-pent-4-ynylbutane-1-sulfonamide
CID 105055836
4-chloro-N-(3-methylsulfanylbutyl)butane-1-sulfonamide
CID 116816563
N-(2-butoxyethyl)-4-chlorobutane-1-sulfonamide
CID 116815923
N-(2-aminoethyl)-3-chloropropane-1-sulfonamide
CID 61248217
4-chloro-N-[2-[ethyl(propyl)amino]ethyl]butane-1-sulfonamide
CID 105055855

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorobutylsulfonylamino)-N-methylpropanamide?
The IUPAC name of 3-(4-chlorobutylsulfonylamino)-N-methylpropanamide (CID 116816081) is 3-(4-chlorobutylsulfonylamino)-N-methylpropanamide.
What is the SMILES notation for 3-(4-chlorobutylsulfonylamino)-N-methylpropanamide?
The canonical SMILES for 3-(4-chlorobutylsulfonylamino)-N-methylpropanamide is CNC(=O)CCNS(=O)(=O)CCCCCl.
What is the InChIKey of 3-(4-chlorobutylsulfonylamino)-N-methylpropanamide?
The InChIKey is FIFLBYRKQHTHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClN2O3S/c1-10-8(12)4-6-11-15(13,14)7-3-2-5-9/h11H,2-7H2,1H3,(H,10,12).
What are the key properties of 3-(4-chlorobutylsulfonylamino)-N-methylpropanamide?
3-(4-chlorobutylsulfonylamino)-N-methylpropanamide has a molecular weight of 256.75 g/mol, XLogP of 0.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorobutylsulfonylamino)-N-methylpropanamide is sourced from PubChem (CID 116816081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).